Ligand |
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| Ligand Name: 2-deoxy-2-fluoro-D-glucuronic acid | ||
| Canonical SMILES: O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1F)C(O)=O | ||
| Standard InChI: InChI=1S/C6H9FO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m1/s1 | ||
| HET Code: GUZ | PubChem: 56604913 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C6H9FO6 | Mol. Weight: 196.03831 | logP: -2.1519 |
| HBD: 4 | HBA: 5 | |
| #Rotatable Bonds: 1 | TPSA: 107.22 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | GLU 287 | A | 14.48 | 10.06 | Hemiacetal |  |
Binding Affinity |
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